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	hartrees
Energy at 0K	-207.965224
Energy at 298.15K
HF Energy	-207.965224
Nuclear repulsion energy	104.822105

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A'	3246	3140	0.42	59.58	0.67	0.81
2	A'	3158	3055	3.72	173.37	0.11	0.20
3	A'	3142	3039	4.46	23.35	0.73	0.84
4	A'	1675	1621	2.10	39.91	0.08	0.15
5	A'	1571	1520	139.58	77.32	0.43	0.60
6	A'	1420	1374	24.72	24.28	0.37	0.54
7	A'	1289	1247	1.44	9.92	0.23	0.38
8	A'	1143	1106	78.52	28.44	0.39	0.56
9	A'	893	864	35.47	0.62	0.74	0.85
10	A'	615	595	1.23	10.42	0.10	0.19
11	A'	354	343	1.04	0.83	0.68	0.81
12	A"	1016	983	13.85	3.92	0.75	0.86
13	A"	1003	970	40.38	0.21	0.75	0.86
14	A"	683	661	0.93	0.58	0.75	0.86
15	A"	181	175	0.08	0.24	0.75	0.86

Atom	x (Å)	y (Å)
C1	1.202	1.220
C2	0.000	0.649
N3	-0.046	-0.774
O4	-1.169	-1.233
H5	2.090	0.603
H6	1.322	2.294
H7	-0.949	1.175

	C1	C2	N3	O4	H5	H6	H7
C1		1.3309	2.3524	3.4118	1.0819	1.0802	2.1514
C2	1.3309		1.4233	2.2153	2.0908	2.1106	1.0852
N3	2.3524	1.4233		1.2134	2.5415	3.3589	2.1479
O4	3.4118	2.2153	1.2134		3.7409	4.3179	2.4181
H5	1.0819	2.0908	2.5415	3.7409		1.8572	3.0927
H6	1.0802	2.1106	3.3589	4.3179	1.8572		2.5318
H7	2.1514	1.0852	2.1479	2.4181	3.0927	2.5318

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	117.287	C1	C2	H7	125.552
C2	C1	H5	119.766	C2	C1	H6	121.823
C2	N3	O4	114.086	N3	C2	H7	117.161
H5	C1	H6	118.411

All results from a given calculation for C₂H₃NO (Nitrosoethylene)

using model chemistry: B3LYP/aug-cc-pVTZ

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Number	Element	Mulliken
1	C	-0.653
2	C	-0.085
3	N	-0.058
4	O	-0.392
5	H	0.384
6	H	0.291
7	H	0.513

	x	y	z	Total
	1.468	3.017	0.000	3.355
CHELPG
AIM
ESP

	x	y	z
x	7.471	2.091	0.000
y	2.091	7.227	0.000
z	0.000	0.000	3.910

<r²>	76.158
(<r²>)^1/2	8.727

All results from a given calculation for C2H3NO (Nitrosoethylene)

using model chemistry: B3LYP/aug-cc-pVTZ

States and conformations

All results from a given calculation for C₂H₃NO (Nitrosoethylene)